Information card for entry 2004729

Structure parameters

• Formula: C34 H40 Br Cd N2 P S4
• Calculated formula: C34 H40 Br Cd N2 P S4
• SMILES: [Cd]12(Br)([S]=C(S1)N(CC)CC)[S]=C(S2)N(CC)CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]
• Authors of publication: Baggio, R.; Garland, M. T.; Perec, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 823 - 826
• a: 13.858 ± 0.002 Å
• b: 14.159 ± 0.003 Å
• c: 19.25 ± 0.003 Å
• α: 90°
• β: 93.87°
• γ: 90°
• Cell volume: 3768.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections: 0.1508
• Weighted residual factors for significantly intense reflections: 0.1282
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No